[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2-ethylbenzoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2-ethylbenzoate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C16H17F3N4O3S MolecularWeight: 402.39139

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CCC1=CC=CC=C1C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C16H17F3N4O3S/c1-3-10-6-4-5-7-11(10)13(24)26-12-8-22(2)9-23(12,25)15-21-20-14(27-15)16(17,18)19/h4-7,12H,3,8-9H2,1-2H3